4,4-difluoro-3-(oxan-4-yl)butan-1-amine

C9H17F2NO — CID 115019360

IUPAC4,4-difluoro-3-(oxan-4-yl)butan-1-amine
SMILESNCCC(C(F)F)C1CCOCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)8(1-4-12)7-2-5-13-6-3-7/h7-9H,1-6,12H2
InChIKeyBWUOWWDCSRFSMQ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.64
Rot. Bonds4

About 4,4-difluoro-3-(oxan-4-yl)butan-1-amine

4,4-difluoro-3-(oxan-4-yl)butan-1-amine (PubChem CID 115019360) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-3-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-3-(oxan-4-yl)butan-1-amine
PubChem CID115019360
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-3-(oxan-4-yl)butan-1-amine
SMILESNCCC(C(F)F)C1CCOCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)8(1-4-12)7-2-5-13-6-3-7/h7-9H,1-6,12H2
InChIKeyBWUOWWDCSRFSMQ-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-3-(oxan-4-yl)butan-1-amine 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

4,4-difluoro-3-(thian-4-yl)butan-1-amine
CID 115026573
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
4,4-difluoro-3-(oxan-4-yl)butanoic acid
CID 115025684
2,2-difluoro-1-(oxan-4-yl)ethanamine
CID 80604527
3-(1,1-dioxothiolan-3-yl)-4,4-difluorobutan-1-amine
CID 115036098
(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
CID 155822311
2-cyclopentyl-3,3-difluoropropan-1-amine
CID 84716916
2-amino-1-(oxan-4-yl)ethanethiol
CID 116868702
3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480
4-amino-3-(oxan-4-yl)butan-1-ol
CID 66091202
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
CID 112517181

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(oxan-4-yl)butan-1-amine?
The IUPAC name of 4,4-difluoro-3-(oxan-4-yl)butan-1-amine (CID 115019360) is 4,4-difluoro-3-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for 4,4-difluoro-3-(oxan-4-yl)butan-1-amine?
The canonical SMILES for 4,4-difluoro-3-(oxan-4-yl)butan-1-amine is NCCC(C(F)F)C1CCOCC1.
What is the InChIKey of 4,4-difluoro-3-(oxan-4-yl)butan-1-amine?
The InChIKey is BWUOWWDCSRFSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)8(1-4-12)7-2-5-13-6-3-7/h7-9H,1-6,12H2.
What are the key properties of 4,4-difluoro-3-(oxan-4-yl)butan-1-amine?
4,4-difluoro-3-(oxan-4-yl)butan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 115019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).