2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

C10H18FN — CID 163614744

IUPAC2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CC(F)C2
InChIInChI=1S/C10H18FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3
InChIKeyHITYKDHUUNKHHK-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163614744) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163614744
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CC(F)C2
InChIInChI=1S/C10H18FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3
InChIKeyHITYKDHUUNKHHK-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(1R,8R)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11643928
(1S,7AR)-1-methylhexahydro-1H-pyrrolizine
CID 11815356
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl-trimethylstannane
CID 134999175
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
t-Butylpyrrolizidine
CID 89367893
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 163614744) is 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)C12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is HITYKDHUUNKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 171.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163614744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).