1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine

C6H9F4N — CID 167721084

IUPAC1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
SMILESNC1(C(F)F)CCCC1(F)F
InChIInChI=1S/C6H9F4N/c7-4(8)5(11)2-1-3-6(5,9)10/h4H,1-3,11H2
InChIKeyKIQQBPBLPKWMOL-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.77
Rot. Bonds1

About 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine

1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine (PubChem CID 167721084) has the molecular formula C6H9F4N and a molecular weight of 171.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
PubChem CID167721084
Molecular FormulaC6H9F4N
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
SMILESNC1(C(F)F)CCCC1(F)F
InChIInChI=1S/C6H9F4N/c7-4(8)5(11)2-1-3-6(5,9)10/h4H,1-3,11H2
InChIKeyKIQQBPBLPKWMOL-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
CID 167721400
4-(difluoromethyl)spiro[4.4]nonan-4-amine
CID 130605016
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
(1-fluorocyclobutyl)phosphane
CID 134406254
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
1-(difluoromethyl)-N-methylcyclobutan-1-amine
CID 80610713
2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
CID 122240376
1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
1-(1-aminoethyl)-2,2-dimethylcyclopentan-1-amine
CID 146176674
3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
CID 175896210
2-[1-(difluoromethyl)cyclobutyl]aniline
CID 84720879

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine?
The IUPAC name of 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine (CID 167721084) is 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine is NC1(C(F)F)CCCC1(F)F.
What is the InChIKey of 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine?
The InChIKey is KIQQBPBLPKWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N/c7-4(8)5(11)2-1-3-6(5,9)10/h4H,1-3,11H2.
What are the key properties of 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine?
1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine has a molecular weight of 171.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine is sourced from PubChem (CID 167721084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).