[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol

C11H22FNO — CID 81106457

IUPAC[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCCCF)CC1
InChIInChI=1S/C11H22FNO/c1-10-3-5-11(9-14,6-4-10)13-8-2-7-12/h10,13-14H,2-9H2,1H3
InChIKeyUXCUTWWEDONKEX-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.88
Rot. Bonds5

About [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol

[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol (PubChem CID 81106457) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol
PubChem CID81106457
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCCCF)CC1
InChIInChI=1S/C11H22FNO/c1-10-3-5-11(9-14,6-4-10)13-8-2-7-12/h10,13-14H,2-9H2,1H3
InChIKeyUXCUTWWEDONKEX-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol (CID 81106457) is [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCCCF)CC1.
What is the InChIKey of [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol?
The InChIKey is UXCUTWWEDONKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10-3-5-11(9-14,6-4-10)13-8-2-7-12/h10,13-14H,2-9H2,1H3.
What are the key properties of [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol?
[1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol has a molecular weight of 203.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 81106457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).