6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine

C12H20FN — CID 154479846

IUPAC6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)C1(N)C=CC=CC1(F)C(C)C
InChIInChI=1S/C12H20FN/c1-9(2)11(13)7-5-6-8-12(11,14)10(3)4/h5-10H,14H2,1-4H3
InChIKeyODDHFOGANHOCAS-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.83
Rot. Bonds2

About 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine

6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 154479846) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID154479846
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)C1(N)C=CC=CC1(F)C(C)C
InChIInChI=1S/C12H20FN/c1-9(2)11(13)7-5-6-8-12(11,14)10(3)4/h5-10H,14H2,1-4H3
InChIKeyODDHFOGANHOCAS-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine (CID 154479846) is 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine is CC(C)C1(N)C=CC=CC1(F)C(C)C.
What is the InChIKey of 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is ODDHFOGANHOCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)11(13)7-5-6-8-12(11,14)10(3)4/h5-10H,14H2,1-4H3.
What are the key properties of 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 154479846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).