cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol

C8H13FO — CID 146644634

IUPACcis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H](F)CC1
InChIInChI=1S/C8H13FO/c1-6-2-4-7(9)8(10)5-3-6/h7-8,10H,1-5H2/t7-,8+/m0/s1
InChIKeyWAYHAFRLMIVVEN-JGVFFNPUSA-N
MW144.19 g/mol
LogP1.82
Rot. Bonds

About cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol

cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol (PubChem CID 146644634) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol
PubChem CID146644634
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namecis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H](F)CC1
InChIInChI=1S/C8H13FO/c1-6-2-4-7(9)8(10)5-3-6/h7-8,10H,1-5H2/t7-,8+/m0/s1
InChIKeyWAYHAFRLMIVVEN-JGVFFNPUSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
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-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol?
The IUPAC name of cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol (CID 146644634) is cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol is C=C1CC[C@@H](O)[C@@H](F)CC1.
What is the InChIKey of cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol?
The InChIKey is WAYHAFRLMIVVEN-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13FO/c1-6-2-4-7(9)8(10)5-3-6/h7-8,10H,1-5H2/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol?
cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol has a molecular weight of 144.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-5-methylidenecycloheptan-1-ol is sourced from PubChem (CID 146644634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).