1-(difluoromethyl)cyclooctan-1-amine

C9H17F2N — CID 80604781

IUPAC1-(difluoromethyl)cyclooctan-1-amine
SMILESNC1(C(F)F)CCCCCCC1
InChIInChI=1S/C9H17F2N/c10-8(11)9(12)6-4-2-1-3-5-7-9/h8H,1-7,12H2
InChIKeyIXINXHCYNCFTCV-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.69
Rot. Bonds1

About 1-(difluoromethyl)cyclooctan-1-amine

1-(difluoromethyl)cyclooctan-1-amine (PubChem CID 80604781) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)cyclooctan-1-amine
PubChem CID80604781
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(difluoromethyl)cyclooctan-1-amine
SMILESNC1(C(F)F)CCCCCCC1
InChIInChI=1S/C9H17F2N/c10-8(11)9(12)6-4-2-1-3-5-7-9/h8H,1-7,12H2
InChIKeyIXINXHCYNCFTCV-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 80605370
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
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1-[fluoro(phenyl)methyl]cyclohexan-1-amine
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1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
CID 167721400
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
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CID 130605016
1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1-(difluoromethyl)cyclohexane-1-carboxamide
CID 130645581

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclooctan-1-amine?
The IUPAC name of 1-(difluoromethyl)cyclooctan-1-amine (CID 80604781) is 1-(difluoromethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(difluoromethyl)cyclooctan-1-amine is NC1(C(F)F)CCCCCCC1.
What is the InChIKey of 1-(difluoromethyl)cyclooctan-1-amine?
The InChIKey is IXINXHCYNCFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c10-8(11)9(12)6-4-2-1-3-5-7-9/h8H,1-7,12H2.
What are the key properties of 1-(difluoromethyl)cyclooctan-1-amine?
1-(difluoromethyl)cyclooctan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclooctan-1-amine is sourced from PubChem (CID 80604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).