2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine

C14H20FN — CID 175621201

IUPAC2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine
SMILESC=c1ccc(C(C)C)c/c1=C/NCC(C)F
InChIInChI=1S/C14H20FN/c1-10(2)13-6-5-11(3)14(7-13)9-16-8-12(4)15/h5-7,9-10,12,16H,3,8H2,1-2,4H3/b14-9-
InChIKeyINXVVBIXFPUWDY-ZROIWOOFSA-N
MW221.32 g/mol
LogP1.91
Rot. Bonds4

About 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine

2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine (PubChem CID 175621201) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine
PubChem CID175621201
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine
SMILESC=c1ccc(C(C)C)c/c1=C/NCC(C)F
InChIInChI=1S/C14H20FN/c1-10(2)13-6-5-11(3)14(7-13)9-16-8-12(4)15/h5-7,9-10,12,16H,3,8H2,1-2,4H3/b14-9-
InChIKeyINXVVBIXFPUWDY-ZROIWOOFSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine?
The IUPAC name of 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine (CID 175621201) is 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine.
What is the SMILES notation for 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine?
The canonical SMILES for 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine is C=c1ccc(C(C)C)c/c1=C/NCC(C)F.
What is the InChIKey of 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine?
The InChIKey is INXVVBIXFPUWDY-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)13-6-5-11(3)14(7-13)9-16-8-12(4)15/h5-7,9-10,12,16H,3,8H2,1-2,4H3/b14-9-.
What are the key properties of 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine?
2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine is sourced from PubChem (CID 175621201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).