1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol

C9H18FNO — CID 146297203

IUPAC1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol
SMILESCC(C)CNC1CC(O)(CF)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-8-3-9(12,4-8)6-10/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZXSRKGJANSZJSC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.10
Rot. Bonds4

About 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol

1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol (PubChem CID 146297203) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol
PubChem CID146297203
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol
SMILESCC(C)CNC1CC(O)(CF)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-8-3-9(12,4-8)6-10/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZXSRKGJANSZJSC-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Rac-(1r,3s)-1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
(3R)-4-(tert-butylamino)-3-fluoro-2-methylbutan-2-ol
CID 117797864
3-(Tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134166297
3-(Methylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134367353
3-(2-Methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 138581103
(3R)-3-fluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 157783214
3-(Ethylamino)-1-(fluoromethyl)cyclobutan-1-ol
CID 170133384
1,1,1-Trifluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 80558961
1,1-Difluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 80604717
2-Methyl-4-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
CID 104926773
1-[(4,4,4-Trifluorobutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718595
1-[(1-Fluoropropan-2-ylamino)methyl]cyclobutan-1-ol
CID 131212113

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol?
The IUPAC name of 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol (CID 146297203) is 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol.
What is the SMILES notation for 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol?
The canonical SMILES for 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol is CC(C)CNC1CC(O)(CF)C1.
What is the InChIKey of 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol?
The InChIKey is ZXSRKGJANSZJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)5-11-8-3-9(12,4-8)6-10/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol?
1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol is sourced from PubChem (CID 146297203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).