[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol

C10H20FNO — CID 80694194

IUPAC[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCCF)CC1
InChIInChI=1S/C10H20FNO/c1-9-2-4-10(8-13,5-3-9)12-7-6-11/h9,12-13H,2-8H2,1H3
InChIKeyQDOWBQKUWLDSHR-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.49
Rot. Bonds4

About [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol

[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol (PubChem CID 80694194) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol
PubChem CID80694194
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCCF)CC1
InChIInChI=1S/C10H20FNO/c1-9-2-4-10(8-13,5-3-9)12-7-6-11/h9,12-13H,2-8H2,1H3
InChIKeyQDOWBQKUWLDSHR-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol (CID 80694194) is [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCCF)CC1.
What is the InChIKey of [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is QDOWBQKUWLDSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9-2-4-10(8-13,5-3-9)12-7-6-11/h9,12-13H,2-8H2,1H3.
What are the key properties of [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol?
[1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol has a molecular weight of 189.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).