N-(4-fluoro-2-hydroxycyclohexyl)formamide

C7H12FNO2 — CID 123729434

IUPACN-(4-fluoro-2-hydroxycyclohexyl)formamide
SMILESO=CNC1CCC(F)CC1O
InChIInChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-10)7(11)3-5/h4-7,11H,1-3H2,(H,9,10)
InChIKeyCUTLUBUEPZQCJE-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.02
Rot. Bonds2

About N-(4-fluoro-2-hydroxycyclohexyl)formamide

N-(4-fluoro-2-hydroxycyclohexyl)formamide (PubChem CID 123729434) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-(4-fluoro-2-hydroxycyclohexyl)formamide.

Molecular Properties

Compound NameN-(4-fluoro-2-hydroxycyclohexyl)formamide
PubChem CID123729434
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-(4-fluoro-2-hydroxycyclohexyl)formamide
SMILESO=CNC1CCC(F)CC1O
InChIInChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-10)7(11)3-5/h4-7,11H,1-3H2,(H,9,10)
InChIKeyCUTLUBUEPZQCJE-UHFFFAOYSA-N
XLogP-0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-hydroxycyclohexyl)formamide?
The IUPAC name of N-(4-fluoro-2-hydroxycyclohexyl)formamide (CID 123729434) is N-(4-fluoro-2-hydroxycyclohexyl)formamide.
What is the SMILES notation for N-(4-fluoro-2-hydroxycyclohexyl)formamide?
The canonical SMILES for N-(4-fluoro-2-hydroxycyclohexyl)formamide is O=CNC1CCC(F)CC1O.
What is the InChIKey of N-(4-fluoro-2-hydroxycyclohexyl)formamide?
The InChIKey is CUTLUBUEPZQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-10)7(11)3-5/h4-7,11H,1-3H2,(H,9,10).
What are the key properties of N-(4-fluoro-2-hydroxycyclohexyl)formamide?
N-(4-fluoro-2-hydroxycyclohexyl)formamide has a molecular weight of 161.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-hydroxycyclohexyl)formamide is sourced from PubChem (CID 123729434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).