1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine

C9H18FN — CID 89425128

IUPAC1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(C(C)CF)C1
InChIInChI=1S/C9H18FN/c1-7(2)9-5-11(6-9)8(3)4-10/h7-9H,4-6H2,1-3H3
InChIKeyXDNPPTSSAOFDMQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.93
Rot. Bonds3

About 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine

1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine (PubChem CID 89425128) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine
PubChem CID89425128
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(C(C)CF)C1
InChIInChI=1S/C9H18FN/c1-7(2)9-5-11(6-9)8(3)4-10/h7-9H,4-6H2,1-3H3
InChIKeyXDNPPTSSAOFDMQ-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Agn-PC-0N7FE1
CID 10606754
3-Cyclopropyl-3-fluoro-1-propan-2-ylazetidine
CID 59412168
1-Butan-2-yl-3-cyclopropyl-3-fluoroazetidine
CID 68166629
3-Fluoro-1-(3-methylbutyl)azetidine
CID 89027264
1-(2,2-Difluoroethyl)-3-propan-2-ylazetidine
CID 89425130
1-Tert-butyl-3-(1,1-difluoroethyl)azetidine
CID 90450827
1-Tert-butyl-3-(fluoromethyl)azetidine
CID 117762582
3-(1-Fluoroethyl)-1-propan-2-ylazetidine
CID 117804153
3-Tert-butyl-1-(2-fluoroethyl)azetidine
CID 121337301
4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine
CID 121474459
3-Fluoro-1-(5-methylhexan-3-yl)azetidine
CID 123908598
1-(2,3-Dimethylbutan-2-yl)-3,3-difluoroazetidine
CID 124099215

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine (CID 89425128) is 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine is CC(C)C1CN(C(C)CF)C1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine?
The InChIKey is XDNPPTSSAOFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9-5-11(6-9)8(3)4-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine?
1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine has a molecular weight of 159.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-propan-2-ylazetidine is sourced from PubChem (CID 89425128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).