(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol

C7H11FO — CID 163709922

IUPAC(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol
SMILESC[C@@H]1CC[C@H](F)C=C1O
InChIInChI=1S/C7H11FO/c1-5-2-3-6(8)4-7(5)9/h4-6,9H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyKIHPRCBXLGNQHS-RITPCOANSA-N
MW130.16 g/mol
LogP2.20
Rot. Bonds

About (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol

(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol (PubChem CID 163709922) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol.

Molecular Properties

Compound Name(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol
PubChem CID163709922
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol
SMILESC[C@@H]1CC[C@H](F)C=C1O
InChIInChI=1S/C7H11FO/c1-5-2-3-6(8)4-7(5)9/h4-6,9H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyKIHPRCBXLGNQHS-RITPCOANSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol?
The IUPAC name of (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol (CID 163709922) is (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol.
What is the SMILES notation for (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol?
The canonical SMILES for (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol is C[C@@H]1CC[C@H](F)C=C1O.
What is the InChIKey of (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol?
The InChIKey is KIHPRCBXLGNQHS-RITPCOANSA-N. The full InChI is InChI=1S/C7H11FO/c1-5-2-3-6(8)4-7(5)9/h4-6,9H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol?
(3S,6R)-3-fluoro-6-methylcyclohexen-1-ol has a molecular weight of 130.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-fluoro-6-methylcyclohexen-1-ol is sourced from PubChem (CID 163709922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).