(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane

C10H16F2O — CID 126707361

IUPAC(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CC[C@@H](C)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3/t7-,8?,9?,10?/m1/s1
InChIKeyNMTJHVPKEOLWAS-QVNBGCGHSA-N
MW190.23 g/mol
LogP2.66
Rot. Bonds3

About (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane

(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane (PubChem CID 126707361) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
PubChem CID126707361
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CC[C@@H](C)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3/t7-,8?,9?,10?/m1/s1
InChIKeyNMTJHVPKEOLWAS-QVNBGCGHSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Difluoro-1-methyl-4-pent-4-enoxycyclohexane
CID 68216997
1-But-2-enoxy-2,3-difluoro-4-methylcyclohexane
CID 71099918
2,3-Difluoro-1-methyl-4-pent-2-enoxycyclohexane
CID 71099919
2,3-Difluoro-1-methyl-4-prop-2-enoxycyclohexane
CID 89273811
2,3-Difluoro-1-(4-methylheptyl)-4-prop-2-enoxycyclohexane
CID 89799186
(1R)-2,3-difluoro-1-(4-methylheptyl)-4-prop-2-enoxycyclohexane
CID 89891559
1-[(E)-but-2-enoxy]-2,3-difluoro-4-methylcyclohexane
CID 124170367
1-(1,1-Difluoroethoxy)-4-ethenylcyclohexane
CID 138493518
2-Fluoro-4-hexyl-1-prop-2-enoxycyclohexane
CID 140870749
2-Fluoro-4-pentyl-1-prop-2-enoxycyclohexane
CID 140870750
1-But-3-enoxy-2,3-difluoro-4-methylcyclohexane
CID 166573178
Trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide
CID 106746610

Frequently Asked Questions

What is the IUPAC name of (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The IUPAC name of (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane (CID 126707361) is (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane.
What is the SMILES notation for (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The canonical SMILES for (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane is C=CCOC1CC[C@@H](C)C(F)C1F.
What is the InChIKey of (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The InChIKey is NMTJHVPKEOLWAS-QVNBGCGHSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
(1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane has a molecular weight of 190.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 126707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).