(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine

C10H14F3N — CID 168874783

IUPAC(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine
SMILESC[C@@H](N)C1C=CC=C(C(F)F)C1(C)F
InChIInChI=1S/C10H14F3N/c1-6(14)7-4-3-5-8(9(11)12)10(7,2)13/h3-7,9H,14H2,1-2H3/t6-,7?,10?/m1/s1
InChIKeyIDLKWZGJSCGQSX-AFKSGGFBSA-N
MW205.22 g/mol
LogP2.44
Rot. Bonds2

About (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine

(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine (PubChem CID 168874783) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine
PubChem CID168874783
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine
SMILESC[C@@H](N)C1C=CC=C(C(F)F)C1(C)F
InChIInChI=1S/C10H14F3N/c1-6(14)7-4-3-5-8(9(11)12)10(7,2)13/h3-7,9H,14H2,1-2H3/t6-,7?,10?/m1/s1
InChIKeyIDLKWZGJSCGQSX-AFKSGGFBSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The IUPAC name of (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine (CID 168874783) is (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The canonical SMILES for (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine is C[C@@H](N)C1C=CC=C(C(F)F)C1(C)F.
What is the InChIKey of (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The InChIKey is IDLKWZGJSCGQSX-AFKSGGFBSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6(14)7-4-3-5-8(9(11)12)10(7,2)13/h3-7,9H,14H2,1-2H3/t6-,7?,10?/m1/s1.
What are the key properties of (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine?
(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine has a molecular weight of 205.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 168874783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).