4-(2,2-difluoroethyl)cyclohexan-1-amine

C8H15F2N — CID 84716905

IUPAC4-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESNC1CCC(CC(F)F)CC1
InChIInChI=1S/C8H15F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h6-8H,1-5,11H2
InChIKeyCOPIXFLEBDFJPC-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.16
Rot. Bonds2

About 4-(2,2-difluoroethyl)cyclohexan-1-amine

4-(2,2-difluoroethyl)cyclohexan-1-amine (PubChem CID 84716905) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)cyclohexan-1-amine
PubChem CID84716905
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESNC1CCC(CC(F)F)CC1
InChIInChI=1S/C8H15F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h6-8H,1-5,11H2
InChIKeyCOPIXFLEBDFJPC-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 139748793
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 166976466
1-cyclopropyl-3-fluorobutan-2-amine
CID 84648134
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
4-(3,3-difluoropropoxy)cyclohexan-1-amine
CID 172566327
(1,2,3-13C3)cyclopropanamine
CID 76972988
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
3-(difluoromethyl)cyclopentan-1-amine
CID 84716159
1,4-bis(2-fluorobutyl)cyclohexane
CID 91135267

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2,2-difluoroethyl)cyclohexan-1-amine (CID 84716905) is 4-(2,2-difluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,2-difluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,2-difluoroethyl)cyclohexan-1-amine is NC1CCC(CC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)cyclohexan-1-amine?
The InChIKey is COPIXFLEBDFJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h6-8H,1-5,11H2.
What are the key properties of 4-(2,2-difluoroethyl)cyclohexan-1-amine?
4-(2,2-difluoroethyl)cyclohexan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 84716905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).