1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine

C12H21F2N — CID 105471508

IUPAC1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C12H21F2N/c13-11(14)10-3-1-9(2-4-10)5-6-12(15)7-8-12/h9-11H,1-8,15H2
InChIKeyKZFLLMXIJIZAJT-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine

1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine (PubChem CID 105471508) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
PubChem CID105471508
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C12H21F2N/c13-11(14)10-3-1-9(2-4-10)5-6-12(15)7-8-12/h9-11H,1-8,15H2
InChIKeyKZFLLMXIJIZAJT-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine (CID 105471508) is 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine is NC1(CCC2CCC(C(F)F)CC2)CC1.
What is the InChIKey of 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine?
The InChIKey is KZFLLMXIJIZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c13-11(14)10-3-1-9(2-4-10)5-6-12(15)7-8-12/h9-11H,1-8,15H2.
What are the key properties of 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine?
1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine has a molecular weight of 217.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105471508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).