4-(3-fluorophenyl)oxan-3-amine

C11H14FNO — CID 84773511

IUPAC4-(3-fluorophenyl)oxan-3-amine
SMILESNC1COCCC1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyBFFBWONJGUQDTC-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.66
Rot. Bonds1

About 4-(3-fluorophenyl)oxan-3-amine

4-(3-fluorophenyl)oxan-3-amine (PubChem CID 84773511) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(3-fluorophenyl)oxan-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)oxan-3-amine
PubChem CID84773511
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(3-fluorophenyl)oxan-3-amine
SMILESNC1COCCC1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyBFFBWONJGUQDTC-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
(3R,4R)-4-(3-fluorophenyl)oxane-3-carboxylic acid
CID 178190203
3-(3-methylphenyl)oxan-4-amine
CID 84772069
(3S,4R)-3-phenyloxan-4-amine
CID 140767373
3-(2,5-difluorophenoxy)oxan-4-amine
CID 63268749
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine
CID 79432791
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)oxan-3-amine?
The IUPAC name of 4-(3-fluorophenyl)oxan-3-amine (CID 84773511) is 4-(3-fluorophenyl)oxan-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)oxan-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)oxan-3-amine is NC1COCCC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)oxan-3-amine?
The InChIKey is BFFBWONJGUQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11H,4-5,7,13H2.
What are the key properties of 4-(3-fluorophenyl)oxan-3-amine?
4-(3-fluorophenyl)oxan-3-amine has a molecular weight of 195.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)oxan-3-amine is sourced from PubChem (CID 84773511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).