4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol

C10H18F3NO — CID 103904568

IUPAC4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol
SMILESCC(CC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C10H18F3NO/c1-7(6-10(11,12)13)14-8-2-4-9(15)5-3-8/h7-9,14-15H,2-6H2,1H3
InChIKeyBMMCUIDNTREHEX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol

4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol (PubChem CID 103904568) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol
PubChem CID103904568
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol
SMILESCC(CC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C10H18F3NO/c1-7(6-10(11,12)13)14-8-2-4-9(15)5-3-8/h7-9,14-15H,2-6H2,1H3
InChIKeyBMMCUIDNTREHEX-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
4-(Methylamino)cyclohexan-1-ol
CID 11571804
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
4-(difluoromethoxy)-N-methylcyclohexan-1-amine
CID 59453686
(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
CID 59603982
(1S,2R,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357671
(1S,6R)-2,2-difluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357673
(1R,2R,6R)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357679
(1S,2S,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357687
(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
CID 121359009

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol (CID 103904568) is 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol is CC(CC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol?
The InChIKey is BMMCUIDNTREHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(6-10(11,12)13)14-8-2-4-9(15)5-3-8/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol?
4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 103904568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).