trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol

C7H13FO — CID 89417107

IUPACtrans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCC[C@@H](F)C1
InChIInChI=1S/C7H13FO/c1-7(9)4-2-3-6(8)5-7/h6,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXAVXPVXOBCAQCU-RQJHMYQMSA-N
MW132.18 g/mol
LogP1.65
Rot. Bonds

About trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol

trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol (PubChem CID 89417107) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol
PubChem CID89417107
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Nametrans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCC[C@@H](F)C1
InChIInChI=1S/C7H13FO/c1-7(9)4-2-3-6(8)5-7/h6,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXAVXPVXOBCAQCU-RQJHMYQMSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol (CID 89417107) is trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol is C[C@]1(O)CCC[C@@H](F)C1.
What is the InChIKey of trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol?
The InChIKey is XAVXPVXOBCAQCU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13FO/c1-7(9)4-2-3-6(8)5-7/h6,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol?
trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol has a molecular weight of 132.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-fluoro-1-methylcyclohexan-1-ol is sourced from PubChem (CID 89417107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).