(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene

C10H17F — CID 162409397

IUPAC(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene
SMILESC[C@@H]1C=C[C@H](C(C)(C)F)CC1
InChIInChI=1S/C10H17F/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,8-9H,5,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyZCWSBZSJQFQQQQ-BDAKNGLRSA-N
MW156.24 g/mol
LogP3.34
Rot. Bonds1

About (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene

(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene (PubChem CID 162409397) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene.

Molecular Properties

Compound Name(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene
PubChem CID162409397
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene
SMILESC[C@@H]1C=C[C@H](C(C)(C)F)CC1
InChIInChI=1S/C10H17F/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,8-9H,5,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyZCWSBZSJQFQQQQ-BDAKNGLRSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.34
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

Beta-Phellandrene
CID 11142
Elemene
CID 12309449
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
p-Menth-1-ene
CID 21671
d-beta-Phellandrene
CID 442484
beta-Sesquiphellandrene
CID 12315492
(+)-p-Menth-1-ene
CID 70954
trans-Isolimonene
CID 22831540
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
(+)-beta-Sesquiphellandrene
CID 11106487

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene?
The IUPAC name of (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene (CID 162409397) is (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene.
What is the SMILES notation for (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene?
The canonical SMILES for (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene is C[C@@H]1C=C[C@H](C(C)(C)F)CC1.
What is the InChIKey of (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene?
The InChIKey is ZCWSBZSJQFQQQQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17F/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,8-9H,5,7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene?
(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene has a molecular weight of 156.24 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene is sourced from PubChem (CID 162409397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).