(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine

C8H16FNO — CID 174697088

IUPAC(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](CCCF)CO1
InChIInChI=1S/C8H16FNO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWLDASYWTDLTMSI-ZETCQYMHSA-N
MW161.22 g/mol
LogP1.46
Rot. Bonds3

About (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine

(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine (PubChem CID 174697088) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
PubChem CID174697088
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](CCCF)CO1
InChIInChI=1S/C8H16FNO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWLDASYWTDLTMSI-ZETCQYMHSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
Spiro(cyclohexane-1,2'-oxazolidine), 3-methyl-
CID 3053135
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
4-Ethyl-2,2-dimethyl-1,3-oxazolidine
CID 20455836
Oxazolidine, 4-(2-methylpropyl)-2-(trifluoromethyl)-, (4S)-
CID 11481019
(4S)-4-propyl-2-trifluoromethyloxazolidine
CID 57515780
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1-methanidylpyrrolidin-1-ium
CID 57868284
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
CID 66596454
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68906346
(S)-4-isobutyl-2-trifluoromethyl-oxazolidine
CID 68906347
2-(Ethoxymethyl)-4-fluoropyrrolidine
CID 77151097

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine (CID 174697088) is (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine is CC1(C)N[C@@H](CCCF)CO1.
What is the InChIKey of (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is WLDASYWTDLTMSI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine?
(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 161.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 174697088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).