3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine

C9H15F4N — CID 112567440

IUPAC3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESNC1CCCC(F)(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F4N/c10-8(4-5-9(11,12)13)3-1-2-7(14)6-8/h7H,1-6,14H2
InChIKeyUGQKRFTVLBOWEW-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.94
Rot. Bonds2

About 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine

3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine (PubChem CID 112567440) has the molecular formula C9H15F4N and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine
PubChem CID112567440
Molecular FormulaC9H15F4N
Molecular Weight213.22 g/mol
Exact Mass213.11
IUPAC Name3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESNC1CCCC(F)(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F4N/c10-8(4-5-9(11,12)13)3-1-2-7(14)6-8/h7H,1-6,14H2
InChIKeyUGQKRFTVLBOWEW-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine
CID 112567368
3-[bromo(difluoro)methyl]-3-fluorocyclohexan-1-amine
CID 107140639
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 105411759
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 164647300
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
CID 112563135
3-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989727
3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567490
1,3-difluoro-1-propylcyclohexane
CID 54151474
3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
CID 107140270

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine (CID 112567440) is 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine is NC1CCCC(F)(CCC(F)(F)F)C1.
What is the InChIKey of 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The InChIKey is UGQKRFTVLBOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4N/c10-8(4-5-9(11,12)13)3-1-2-7(14)6-8/h7H,1-6,14H2.
What are the key properties of 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine has a molecular weight of 213.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 112567440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).