cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane

C10H17FO — CID 11622414

IUPACcis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane
SMILESC=CC[C@@]1(OC)CCCC[C@@H]1F
InChIInChI=1S/C10H17FO/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3,9H,1,4-8H2,2H3/t9-,10+/m0/s1
InChIKeyBITQHJOFVXZANP-VHSXEESVSA-N
MW172.24 g/mol
LogP2.86
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane

cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane (PubChem CID 11622414) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane
PubChem CID11622414
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Namecis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane
SMILESC=CC[C@@]1(OC)CCCC[C@@H]1F
InChIInChI=1S/C10H17FO/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3,9H,1,4-8H2,2H3/t9-,10+/m0/s1
InChIKeyBITQHJOFVXZANP-VHSXEESVSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane?
The IUPAC name of cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane (CID 11622414) is cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane is C=CC[C@@]1(OC)CCCC[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane?
The InChIKey is BITQHJOFVXZANP-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17FO/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3,9H,1,4-8H2,2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane?
cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane has a molecular weight of 172.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 11622414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).