(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene

C8H13F3 — CID 145149361

IUPAC(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene
SMILESC=C(C)[C@H](CCC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyFPMSOWCNJPHRJT-ZETCQYMHSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds3

About (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene

(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene (PubChem CID 145149361) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene
PubChem CID145149361
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene
SMILESC=C(C)[C@H](CCC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyFPMSOWCNJPHRJT-ZETCQYMHSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.54
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

1-Methylidene-4-(trifluoromethyl)cyclohexane
CID 12937208
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
5,5,5-Trifluoro-2,4-dimethylpent-1-ene
CID 13379970
(R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
CID 162623291
1,1-Difluoro-4,8-dimethylnona-1,7-diene
CID 164674098
trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane
CID 13379955
1-Methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
1,1,2-Trifluoro-6-methylhepta-1,6-diene
CID 19994177
4,4-Difluoro-6-methylhept-1-ene
CID 20782682
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-trimethylhex-1-ene
CID 22016472
3-Fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene
CID 23042181
1-Methylidene-2-(trifluoromethyl)cyclohexane
CID 23528901

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene?
The IUPAC name of (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene (CID 145149361) is (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene?
The canonical SMILES for (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene is C=C(C)[C@H](CCC)C(F)(F)F.
What is the InChIKey of (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene?
The InChIKey is FPMSOWCNJPHRJT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3/t7-/m0/s1.
What are the key properties of (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene?
(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 145149361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).