N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H18F3NO — CID 64757656

IUPACN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCc1ccco1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h3-4,9,11-12,17H,1-2,5-8H2
InChIKeyXCKAPFUOPMFMGF-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757656) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757656
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCc1ccco1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h3-4,9,11-12,17H,1-2,5-8H2
InChIKeyXCKAPFUOPMFMGF-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
CID 42344850
N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 64757656) is N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XCKAPFUOPMFMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h3-4,9,11-12,17H,1-2,5-8H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).