[4-(difluoromethyl)oxan-4-yl]methanamine

C7H13F2NO — CID 130738015

IUPAC[4-(difluoromethyl)oxan-4-yl]methanamine
SMILESNCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(5-10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyRDAXULRKPAXBLP-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About [4-(difluoromethyl)oxan-4-yl]methanamine

[4-(difluoromethyl)oxan-4-yl]methanamine (PubChem CID 130738015) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [4-(difluoromethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)oxan-4-yl]methanamine
PubChem CID130738015
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[4-(difluoromethyl)oxan-4-yl]methanamine
SMILESNCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(5-10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyRDAXULRKPAXBLP-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(difluoromethyl)oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
CID 115013006
[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
CID 130647540
[4-(difluoromethoxy)oxan-4-yl]methanamine
CID 65051766
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[4-(aminomethyl)oxan-4-yl]-(3-chloro-4-fluorophenyl)methanol
CID 81156337
4-(aminomethyl)oxan-4-amine
CID 43608727
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 79135068
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
(4-chlorooxan-4-yl)methanamine;hydrochloride
CID 146050323
4-(difluoromethyl)-4-methyloxane
CID 67569542

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)oxan-4-yl]methanamine (CID 130738015) is [4-(difluoromethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)oxan-4-yl]methanamine is NCC1(C(F)F)CCOCC1.
What is the InChIKey of [4-(difluoromethyl)oxan-4-yl]methanamine?
The InChIKey is RDAXULRKPAXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)7(5-10)1-3-11-4-2-7/h6H,1-5,10H2.
What are the key properties of [4-(difluoromethyl)oxan-4-yl]methanamine?
[4-(difluoromethyl)oxan-4-yl]methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 130738015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).