N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine

C19H25ClF3N — CID 153338527

IUPACN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine
SMILESFc1ccc(C2CCC(CCNC3CCC(F)(F)C3)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClF3N/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)8-10-24-16-7-9-19(22,23)12-16/h5-6,11,13-14,16,24H,1-4,7-10,12H2
InChIKeyKFKOCORPOGADGZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.92
Rot. Bonds5

About N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine (PubChem CID 153338527) has the molecular formula C19H25ClF3N and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine
PubChem CID153338527
Molecular FormulaC19H25ClF3N
Molecular Weight359.86 g/mol
Exact Mass359.16
IUPAC NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine
SMILESFc1ccc(C2CCC(CCNC3CCC(F)(F)C3)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClF3N/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)8-10-24-16-7-9-19(22,23)12-16/h5-6,11,13-14,16,24H,1-4,7-10,12H2
InChIKeyKFKOCORPOGADGZ-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine?
The IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine (CID 153338527) is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine is Fc1ccc(C2CCC(CCNC3CCC(F)(F)C3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine?
The InChIKey is KFKOCORPOGADGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF3N/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)8-10-24-16-7-9-19(22,23)12-16/h5-6,11,13-14,16,24H,1-4,7-10,12H2.
What are the key properties of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine?
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine has a molecular weight of 359.86 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine is sourced from PubChem (CID 153338527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).