3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol

C14H20FNO3 — CID 163032265

IUPAC3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
SMILESCOCC1CC(NCc2ccc(F)cc2)C(O)C1O
InChIInChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3
InChIKeyMNHKATFQBBQUCV-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.67
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol

3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol (PubChem CID 163032265) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
PubChem CID163032265
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
SMILESCOCC1CC(NCc2ccc(F)cc2)C(O)C1O
InChIInChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3
InChIKeyMNHKATFQBBQUCV-UHFFFAOYSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol (CID 163032265) is 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol is COCC1CC(NCc2ccc(F)cc2)C(O)C1O.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The InChIKey is MNHKATFQBBQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol has a molecular weight of 269.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 163032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).