(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine

C8H16FNO — CID 176773892

IUPAC(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1CF
InChIInChI=1S/C8H16FNO/c1-7(2)10-3-4-11-6-8(10)5-9/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRZFLTOIXDAHTEO-MRVPVSSYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds2

About (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine

(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine (PubChem CID 176773892) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine
PubChem CID176773892
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1CF
InChIInChI=1S/C8H16FNO/c1-7(2)10-3-4-11-6-8(10)5-9/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRZFLTOIXDAHTEO-MRVPVSSYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholine, 4-(1-methylethyl)-
CID 73998
Morpholine, 4-(1,1-dimethylethyl)-
CID 287919
4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
CID 101731127
4-Sec-butylmorpholine
CID 110911
4-(2-Fluoropropyl)morpholine
CID 101432303
(3R)-3-methyl-4-(prop-2-yn-1-yl)morpholine
CID 130636593
3,4-Dimethyl-morpholine
CID 19892454
Methyl ethyl morpholine
CID 20388049
Dimethylmorpholine hydrochloride
CID 69639350
Morpholine, 4-(1-methylpropyl)-, hydrobromide (1:1)
CID 110910
4,4-Diethylmorpholin-4-ium
CID 414637
4-Methyl-4-propylmorpholin-4-ium
CID 421396

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine?
The IUPAC name of (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine (CID 176773892) is (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC[C@H]1CF.
What is the InChIKey of (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine?
The InChIKey is RZFLTOIXDAHTEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)10-3-4-11-6-8(10)5-9/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine?
(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 176773892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).