[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine

C14H19F2NO — CID 145106808

IUPAC[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine
SMILESCC(F)(F)c1ccc(C2(CN)CCOCC2)cc1
InChIInChI=1S/C14H19F2NO/c1-13(15,16)11-2-4-12(5-3-11)14(10-17)6-8-18-9-7-14/h2-5H,6-10,17H2,1H3
InChIKeySWCKFLSGQGNDTC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.81
Rot. Bonds3

About [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine

[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine (PubChem CID 145106808) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine
PubChem CID145106808
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine
SMILESCC(F)(F)c1ccc(C2(CN)CCOCC2)cc1
InChIInChI=1S/C14H19F2NO/c1-13(15,16)11-2-4-12(5-3-11)14(10-17)6-8-18-9-7-14/h2-5H,6-10,17H2,1H3
InChIKeySWCKFLSGQGNDTC-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine (CID 145106808) is [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine is CC(F)(F)c1ccc(C2(CN)CCOCC2)cc1.
What is the InChIKey of [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine?
The InChIKey is SWCKFLSGQGNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(15,16)11-2-4-12(5-3-11)14(10-17)6-8-18-9-7-14/h2-5H,6-10,17H2,1H3.
What are the key properties of [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine?
[4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,1-difluoroethyl)phenyl]oxan-4-yl]methanamine is sourced from PubChem (CID 145106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).