[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol

C11H22FNO — CID 81107201

IUPAC[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCCCF
InChIInChI=1S/C11H22FNO/c12-6-3-7-13-8-10-4-1-2-5-11(10)9-14/h10-11,13-14H,1-9H2
InChIKeyLFVXDDSOYNMFRZ-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.73
Rot. Bonds6

About [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol

[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol (PubChem CID 81107201) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol
PubChem CID81107201
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCCCF
InChIInChI=1S/C11H22FNO/c12-6-3-7-13-8-10-4-1-2-5-11(10)9-14/h10-11,13-14H,1-9H2
InChIKeyLFVXDDSOYNMFRZ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.73
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 [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol (CID 81107201) is [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNCCCF.
What is the InChIKey of [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol?
The InChIKey is LFVXDDSOYNMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c12-6-3-7-13-8-10-4-1-2-5-11(10)9-14/h10-11,13-14H,1-9H2.
What are the key properties of [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol?
[2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol has a molecular weight of 203.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoropropylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81107201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).