2-(4,4-difluorocyclohexyl)-4-methylquinoline

C16H17F2N — CID 162400846

IUPAC2-(4,4-difluorocyclohexyl)-4-methylquinoline
SMILESCc1cc(C2CCC(F)(F)CC2)nc2ccccc12
InChIInChI=1S/C16H17F2N/c1-11-10-15(12-6-8-16(17,18)9-7-12)19-14-5-3-2-4-13(11)14/h2-5,10,12H,6-9H2,1H3
InChIKeyOWQHGBOHZBVKFC-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.84
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-4-methylquinoline

2-(4,4-difluorocyclohexyl)-4-methylquinoline (PubChem CID 162400846) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-methylquinoline.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-methylquinoline
PubChem CID162400846
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-(4,4-difluorocyclohexyl)-4-methylquinoline
SMILESCc1cc(C2CCC(F)(F)CC2)nc2ccccc12
InChIInChI=1S/C16H17F2N/c1-11-10-15(12-6-8-16(17,18)9-7-12)19-14-5-3-2-4-13(11)14/h2-5,10,12H,6-9H2,1H3
InChIKeyOWQHGBOHZBVKFC-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methylquinoline?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methylquinoline (CID 162400846) is 2-(4,4-difluorocyclohexyl)-4-methylquinoline.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-methylquinoline?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-methylquinoline is Cc1cc(C2CCC(F)(F)CC2)nc2ccccc12.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-methylquinoline?
The InChIKey is OWQHGBOHZBVKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-10-15(12-6-8-16(17,18)9-7-12)19-14-5-3-2-4-13(11)14/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-methylquinoline?
2-(4,4-difluorocyclohexyl)-4-methylquinoline has a molecular weight of 261.31 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-4-methylquinoline is sourced from PubChem (CID 162400846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).