(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene

C10H19F — CID 146383020

IUPAC(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene
SMILESC=C[C@](C)(F)[C@@H](C)[C@@H](C)CC
InChIInChI=1S/C10H19F/c1-6-8(3)9(4)10(5,11)7-2/h7-9H,2,6H2,1,3-5H3/t8-,9-,10-/m0/s1
InChIKeyJZBDGBAAYIIDKE-GUBZILKMSA-N
MW158.26 g/mol
LogP3.58
Rot. Bonds4

About (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene

(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene (PubChem CID 146383020) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene.

Molecular Properties

Compound Name(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene
PubChem CID146383020
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene
SMILESC=C[C@](C)(F)[C@@H](C)[C@@H](C)CC
InChIInChI=1S/C10H19F/c1-6-8(3)9(4)10(5,11)7-2/h7-9H,2,6H2,1,3-5H3/t8-,9-,10-/m0/s1
InChIKeyJZBDGBAAYIIDKE-GUBZILKMSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.58
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

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
1-Heptene, 5-methyl-
CID 99888
3,4,5-Trimethyl-1-hexene
CID 41976
4-Methylhept-1-ene
CID 518713
3-Ethyl-1-hexene
CID 103003
3-Ethyl-4-methylpent-1-ene
CID 143842
(5S)-5-Methylhept-1-ene
CID 12567238
4,6-Dimethylhept-1-ene
CID 13437467
4-Methyl-1,7-octadiene
CID 527089
3,4-Diethylhexa-1,5-diene
CID 21283921
4-Diallyl butane
CID 56619945

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene?
The IUPAC name of (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene (CID 146383020) is (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene.
What is the SMILES notation for (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene?
The canonical SMILES for (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene is C=C[C@](C)(F)[C@@H](C)[C@@H](C)CC.
What is the InChIKey of (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene?
The InChIKey is JZBDGBAAYIIDKE-GUBZILKMSA-N. The full InChI is InChI=1S/C10H19F/c1-6-8(3)9(4)10(5,11)7-2/h7-9H,2,6H2,1,3-5H3/t8-,9-,10-/m0/s1.
What are the key properties of (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene?
(3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene has a molecular weight of 158.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3-fluoro-3,4,5-trimethylhept-1-ene is sourced from PubChem (CID 146383020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).