1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine

C16H23F2N — CID 59599084

IUPAC1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)c1cccc(C2(N)CCC(F)(F)CC2)c1
InChIInChI=1S/C16H23F2N/c1-14(2,3)12-5-4-6-13(11-12)15(19)7-9-16(17,18)10-8-15/h4-6,11H,7-10,19H2,1-3H3
InChIKeyFXWKYEGKIDGWDS-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.35
Rot. Bonds1

About 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine

1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine (PubChem CID 59599084) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine
PubChem CID59599084
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)c1cccc(C2(N)CCC(F)(F)CC2)c1
InChIInChI=1S/C16H23F2N/c1-14(2,3)12-5-4-6-13(11-12)15(19)7-9-16(17,18)10-8-15/h4-6,11H,7-10,19H2,1-3H3
InChIKeyFXWKYEGKIDGWDS-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine?
The IUPAC name of 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine (CID 59599084) is 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine is CC(C)(C)c1cccc(C2(N)CCC(F)(F)CC2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine?
The InChIKey is FXWKYEGKIDGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-14(2,3)12-5-4-6-13(11-12)15(19)7-9-16(17,18)10-8-15/h4-6,11H,7-10,19H2,1-3H3.
What are the key properties of 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine?
1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 59599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).