azane;(3-fluoro-2-methylprop-2-enyl)benzene

C10H14FN — CID 70515624

IUPACazane;(3-fluoro-2-methylprop-2-enyl)benzene
SMILESCC(=CF)Cc1ccccc1.N
InChIInChI=1S/C10H11F.H3N/c1-9(8-11)7-10-5-3-2-4-6-10;/h2-6,8H,7H2,1H3;1H3
InChIKeyHWCOJJONPOYKOE-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.26
Rot. Bonds2

About azane;(3-fluoro-2-methylprop-2-enyl)benzene

azane;(3-fluoro-2-methylprop-2-enyl)benzene (PubChem CID 70515624) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is azane;(3-fluoro-2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Nameazane;(3-fluoro-2-methylprop-2-enyl)benzene
PubChem CID70515624
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Nameazane;(3-fluoro-2-methylprop-2-enyl)benzene
SMILESCC(=CF)Cc1ccccc1.N
InChIInChI=1S/C10H11F.H3N/c1-9(8-11)7-10-5-3-2-4-6-10;/h2-6,8H,7H2,1H3;1H3
InChIKeyHWCOJJONPOYKOE-UHFFFAOYSA-N
XLogP3.26
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
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CID 15841501
(2-benzyl-3-fluoroprop-2-enyl)benzene;silane
CID 159949787
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
2-(fluoromethylidene)hexylbenzene;silane
CID 161077647
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565

Frequently Asked Questions

What is the IUPAC name of azane;(3-fluoro-2-methylprop-2-enyl)benzene?
The IUPAC name of azane;(3-fluoro-2-methylprop-2-enyl)benzene (CID 70515624) is azane;(3-fluoro-2-methylprop-2-enyl)benzene.
What is the SMILES notation for azane;(3-fluoro-2-methylprop-2-enyl)benzene?
The canonical SMILES for azane;(3-fluoro-2-methylprop-2-enyl)benzene is CC(=CF)Cc1ccccc1.N.
What is the InChIKey of azane;(3-fluoro-2-methylprop-2-enyl)benzene?
The InChIKey is HWCOJJONPOYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F.H3N/c1-9(8-11)7-10-5-3-2-4-6-10;/h2-6,8H,7H2,1H3;1H3.
What are the key properties of azane;(3-fluoro-2-methylprop-2-enyl)benzene?
azane;(3-fluoro-2-methylprop-2-enyl)benzene has a molecular weight of 167.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3-fluoro-2-methylprop-2-enyl)benzene is sourced from PubChem (CID 70515624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).