1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene

C17H17F — CID 134992008

IUPAC1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
SMILESC=C[C@@H](CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F/c1-2-15(16-10-12-17(18)13-11-16)9-8-14-6-4-3-5-7-14/h2-7,10-13,15H,1,8-9H2/t15-/m0/s1
InChIKeyJVWWRNMKURFGRX-HNNXBMFYSA-N
MW240.32 g/mol
LogP4.73
Rot. Bonds5

About 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene

1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene (PubChem CID 134992008) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
PubChem CID134992008
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
SMILESC=C[C@@H](CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F/c1-2-15(16-10-12-17(18)13-11-16)9-8-14-6-4-3-5-7-14/h2-7,10-13,15H,1,8-9H2/t15-/m0/s1
InChIKeyJVWWRNMKURFGRX-HNNXBMFYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene
CID 51353770
(3S)-3-(4-fluorophenyl)pent-4-enoic acid
CID 124635167
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815
1-[(3S)-5-phenylpent-1-en-3-yl]isoquinoline
CID 162411621
4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
CID 143987033
2-(3-phenylpent-4-enoxy)prop-2-enylbenzene
CID 134879445
2-(2-phenylethyl)but-3-enenitrile
CID 172991765
(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene?
The IUPAC name of 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene (CID 134992008) is 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene is C=C[C@@H](CCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene?
The InChIKey is JVWWRNMKURFGRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F/c1-2-15(16-10-12-17(18)13-11-16)9-8-14-6-4-3-5-7-14/h2-7,10-13,15H,1,8-9H2/t15-/m0/s1.
What are the key properties of 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene?
1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene has a molecular weight of 240.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene is sourced from PubChem (CID 134992008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).