(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine

C19H16F3N — CID 170132338

IUPAC(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(c2ccc(-c3ccc(F)cc3F)cc2F)C=C[C@@H]1N
InChIInChI=1S/C19H16F3N/c1-11-8-12(3-7-19(11)23)15-5-2-13(9-17(15)21)16-6-4-14(20)10-18(16)22/h2-11,19H,23H2,1H3/t11?,19-/m0/s1
InChIKeyFFPMSZSKMHHKFD-OWRIGNJKSA-N
MW315.34 g/mol
LogP4.69
Rot. Bonds2

About (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine

(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 170132338) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID170132338
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(c2ccc(-c3ccc(F)cc3F)cc2F)C=C[C@@H]1N
InChIInChI=1S/C19H16F3N/c1-11-8-12(3-7-19(11)23)15-5-2-13(9-17(15)21)16-6-4-14(20)10-18(16)22/h2-11,19H,23H2,1H3/t11?,19-/m0/s1
InChIKeyFFPMSZSKMHHKFD-OWRIGNJKSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine (CID 170132338) is (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine is CC1C=C(c2ccc(-c3ccc(F)cc3F)cc2F)C=C[C@@H]1N.
What is the InChIKey of (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is FFPMSZSKMHHKFD-OWRIGNJKSA-N. The full InChI is InChI=1S/C19H16F3N/c1-11-8-12(3-7-19(11)23)15-5-2-13(9-17(15)21)16-6-4-14(20)10-18(16)22/h2-11,19H,23H2,1H3/t11?,19-/m0/s1.
What are the key properties of (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine?
(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 315.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 170132338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).