(7S)-7-(difluoromethyl)-1,4-oxazepane

C6H11F2NO — CID 125041510

IUPAC(7S)-7-(difluoromethyl)-1,4-oxazepane
SMILESFC(F)[C@H]1CCNCCO1
InChIInChI=1S/C6H11F2NO/c7-6(8)5-1-2-9-3-4-10-5/h5-6,9H,1-4H2/t5-/m1/s1
InChIKeyBPFDCJUMTPFAQM-RXMQYKEDSA-N
MW151.16 g/mol
LogP0.63
Rot. Bonds1

About (7S)-7-(difluoromethyl)-1,4-oxazepane

(7S)-7-(difluoromethyl)-1,4-oxazepane (PubChem CID 125041510) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (7S)-7-(difluoromethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(7S)-7-(difluoromethyl)-1,4-oxazepane
PubChem CID125041510
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(7S)-7-(difluoromethyl)-1,4-oxazepane
SMILESFC(F)[C@H]1CCNCCO1
InChIInChI=1S/C6H11F2NO/c7-6(8)5-1-2-9-3-4-10-5/h5-6,9H,1-4H2/t5-/m1/s1
InChIKeyBPFDCJUMTPFAQM-RXMQYKEDSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-7-(difluoromethyl)-1,4-oxazepane 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

(2R)-2-(difluoromethyl)morpholine
CID 97296988
(2S)-2-(difluoromethyl)morpholine;hydrochloride
CID 140765944
7-propan-2-yl-1,4-oxazepane
CID 82594497
2,9-dioxa-5-azabicyclo[6.2.0]decane
CID 118209884
2-oxa-5,9-diazabicyclo[6.2.0]decane
CID 118209815
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
1,4-oxazepane-7-carbaldehyde
CID 152939152
(2S)-2-[(2S)-oxetan-2-yl]morpholine
CID 86311966
2,2,2-trifluoro-1-morpholin-2-ylethanol
CID 175950146
N,N-dimethyl-1-morpholin-2-yl-1-(oxan-4-yl)methanamine
CID 116910867
7-propyl-1,4-oxazepane
CID 165441817
4-(azetidin-3-yl)-2-(difluoromethyl)morpholine;hydrochloride
CID 131067700

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(difluoromethyl)-1,4-oxazepane?
The IUPAC name of (7S)-7-(difluoromethyl)-1,4-oxazepane (CID 125041510) is (7S)-7-(difluoromethyl)-1,4-oxazepane.
What is the SMILES notation for (7S)-7-(difluoromethyl)-1,4-oxazepane?
The canonical SMILES for (7S)-7-(difluoromethyl)-1,4-oxazepane is FC(F)[C@H]1CCNCCO1.
What is the InChIKey of (7S)-7-(difluoromethyl)-1,4-oxazepane?
The InChIKey is BPFDCJUMTPFAQM-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)5-1-2-9-3-4-10-5/h5-6,9H,1-4H2/t5-/m1/s1.
What are the key properties of (7S)-7-(difluoromethyl)-1,4-oxazepane?
(7S)-7-(difluoromethyl)-1,4-oxazepane has a molecular weight of 151.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(difluoromethyl)-1,4-oxazepane is sourced from PubChem (CID 125041510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).