(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

C15H22F3NO2 — CID 129430023

IUPAC(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESC[C@H](C[C@H](O)c1ccco1)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3NO2/c1-10(8-13(20)14-6-3-7-21-14)19-12-5-2-4-11(9-12)15(16,17)18/h3,6-7,10-13,19-20H,2,4-5,8-9H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKeyVMVTWQKWNLVPON-NDBYEHHHSA-N
MW305.34 g/mol
LogP3.80
Rot. Bonds5

About (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 129430023) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID129430023
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESC[C@H](C[C@H](O)c1ccco1)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3NO2/c1-10(8-13(20)14-6-3-7-21-14)19-12-5-2-4-11(9-12)15(16,17)18/h3,6-7,10-13,19-20H,2,4-5,8-9H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKeyVMVTWQKWNLVPON-NDBYEHHHSA-N
XLogP3.80
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429824
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429823
N-[4-[[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]amino]cyclohexyl]acetamide
CID 99634339
(1R,3S)-3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-(furan-2-yl)butan-1-ol
CID 99621655
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105122947
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 129430023) is (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is C[C@H](C[C@H](O)c1ccco1)N[C@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is VMVTWQKWNLVPON-NDBYEHHHSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-10(8-13(20)14-6-3-7-21-14)19-12-5-2-4-11(9-12)15(16,17)18/h3,6-7,10-13,19-20H,2,4-5,8-9H2,1H3/t10-,11-,12+,13+/m1/s1.
What are the key properties of (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 129430023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).